SCHEMBL16933546

SCHEMBL16933546

O=C(O)N(C1CN2CCC1CC2)C1(c2ccc(-c3ccc(COCc4cccnc4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.41
▸ CHRM3 P20309 8/20 0.41
▸ CHRM5 P08912 6/20 0.41
▸ CHRM2 P08172 4/20 0.41
▸ HSD11B1 P28845 1/20 0.37
▸ TACR1 P25103 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16933518 0.90 CHRM1 (0.39) CHRM1CHRM3CHRM5CHRM2
SCHEMBL16933511 0.84 CHRM5 (0.34) CHRM1CHRM3CHRM5CHRM2OPRM1
SCHEMBL16934160 0.76 CHRM5 (0.36) CHRM1CHRM3CHRM5CHRM2OPRM1
SCHEMBL29399370 0.75 NTMT1 (0.43) CHRM1CHRM3CHRM5CHRM2POLB
SCHEMBL16933504 0.73 CHRM5 (0.40) CHRM1CHRM3CHRM5CHRM2OPRM1
SCHEMBL15578074 0.72 HSD11B1 (0.46) HSD11B1TACR1CYP2D6CYP2C9LMNA
Hydrochloric Acid SCHEMBL8963791 0.71 CHRM3 (0.46) CHRM1CHRM3CHRM5CHRM2LMNA
SCHEMBL15578209 0.70 CHRM5 (0.43) CHRM1CHRM3CHRM5CHRM2
SCHEMBL12614662 0.70 FASN (0.46) CHRM5
SCHEMBL15578122 0.69 POLB (0.48) HSD11B1LMNAKDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRM1 4870/4885CHRM3 4832/4885CHRM5 4860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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